%nprocshared=24
%mem=41GB
#p opt=(loose,modredundant,calcfc,ts,noeigentest,maxstep=8) b3lyp genecp scrf=(solvent=generic,read,pcm) nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=1024,conver=6) int(grid=fine)

Loose ts

0 1
 C                 -3.70507100    4.09748700    1.82292200
 C                 -2.97761200    4.33052100    0.58175200
 C                 -3.66481800    4.58695500   -0.61713800
 C                 -5.11165500    4.57883700   -0.62635600
 C                 -5.78053400    4.30286700    0.55863100
 C                 -5.09285000    4.10134600    1.81678000
 C                 -3.00271000    3.09511900    2.60494000
 C                 -1.82993900    2.70411900    1.86003500
 C                 -1.81481600    3.47500400    0.58548500
 C                 -1.37777600    2.91212400   -0.59706600
 C                 -3.22906500    3.97319100   -1.84915100
 C                 -5.57630200    3.97236500   -1.86664200
 C                 -6.70676900    3.14613000   -1.87434800
 C                 -7.40670200    2.88290600   -0.63983100
 C                 -6.86446600    3.37197200    0.52867100
 C                 -6.97931700    2.70766500    1.79167900
 C                 -5.84214000    3.11296300    2.58483200
 C                 -5.17886100    2.15864500    3.34593700
 C                 -3.72753400    2.15071200    3.35708200
 C                 -1.42525900    1.38821500    1.88837300
 C                 -2.18612400    0.41003200    2.61916000
 C                 -3.31234500    0.76987100    3.36220700
 C                 -4.49861100   -0.08506400    3.37233200
 C                 -5.65641100    0.77596300    3.34220700
 C                 -6.79574100    0.41148200    2.60337400
 C                 -7.47508100    1.40949100    1.80871800
 C                 -7.93087200    0.80580400    0.56384300
 C                 -7.90956500    1.52910000   -0.63378300
 C                 -4.40674800    3.59212500   -2.62613100
 C                 -5.89212100   -0.79229900   -2.61860700
 C                 -5.17733400    0.16482100   -3.35706900
 C                 -3.72539100    0.17367600   -3.33925500
 C                 -3.05271100   -0.75645100   -2.54948500
 C                 -3.79917900   -1.73411400   -1.77936700
 C                 -5.92188200   -2.03125000   -0.60009400
 C                 -7.08696300   -1.17265600   -0.61539500
 C                 -7.06996400   -0.41093400   -1.86423400
 C                 -7.48272900    0.92003900   -1.87697600
 C                 -6.74043600    1.91864200   -2.64389400
 C                 -5.60897000    1.55163800   -3.37144800
 C                 -3.25867500    1.54321200   -3.34522600
 C                 -2.13421700    1.90091100   -2.58556900
 C                 -1.42220600    0.91619600   -1.82087300
 C                 -1.90564500   -0.35747800   -1.78648200
 C                 -3.12039200   -1.94643700   -0.53994200
 C                 -3.79111500   -2.23702200    0.63159200
 C                 -5.23736300   -2.25239000    0.60601000
 C                 -7.51377000   -0.57897600    0.57692100
 C                 -6.80590800   -0.81948400    1.83229300
 C                 -5.68343400   -1.64455400    1.84558500
 C                 -4.50181800   -1.26744200    2.62059000
 C                 -3.32749000   -1.67780100    1.88708000
 C                 -2.21282200   -0.81373100    1.82999700
 C                 -1.43343500   -0.61033000    0.66297900
 C                 -0.72347100    0.72826000    0.71846200
 C                 -0.69871800    1.55569000   -0.64607400
 C                 -4.42448000    2.40489000   -3.36261200
 C                 -2.11421400    3.13420100   -1.81909800
 C                 -5.19032300   -1.79267200   -1.83236700
 C                 -1.86398600   -1.18023300   -0.54981200
 C                 -0.80111000   -2.64014500   -1.21426600
 C                  3.96671600    2.08460400    3.30949800
 C                  5.41734700    2.02493500    3.29910300
 C                  6.14767900    2.92165700    2.51669600
 C                  5.45518600    3.91601800    1.71208800
 C                  4.06142500    3.96202500    1.71141600
 C                  3.29805800    3.02915300    2.52176000
 C                  3.46385700    0.73278400    3.37094700
 C                  4.60028000   -0.17717700    3.40008000
 C                  5.81039700    0.62558000    3.35530500
 C                  6.91524900    0.18118000    2.62599600
 C                  7.29717800    2.46032600    1.76285100
 C                  6.18668100    4.07745600    0.46528700
 C                  5.49427400    4.29351200   -0.72769800
 C                  4.04376400    4.35670300   -0.72427800
 C                  3.33767200    4.18539400    0.47237000
 C                  2.12470500    3.39686100    0.50438300
 C                  2.09877500    2.66848500    1.79591600
 C                  1.60346200    1.38276900    1.87416600
 C                  2.31530000    0.39696800    2.64574800
 C                  4.54239600   -1.39273100    2.71872400
 C                  3.34395900   -1.75238100    1.97551700
 C                  2.25731600   -0.86894100    1.93261100
 C                  1.51143700   -0.66532600    0.71849500
 C                  0.86024300    0.70801700    0.73230700
 C                  0.88446400    1.49704800   -0.65517900
 C                  1.65461100    2.80667200   -0.65016900
 C                  2.40278400    2.94035600   -1.87146000
 C                  3.56501900    3.71662200   -1.92633900
 C                  7.32167700    3.17527800    0.49447100
 C                  5.78984600    1.12962500   -3.34181700
 C                  6.93882500    1.47154400   -2.62599200
 C                  7.62098000    0.47055000   -1.82437400
 C                  7.12642400   -0.83426300   -1.76791200
 C                  5.93068500   -1.18918400   -2.50738600
 C                  3.82264700   -0.15570800   -3.27200700
 C                  3.44339600    1.23594900   -3.32698200
 C                  4.65619400    2.03809200   -3.37067200
 C                  4.71561100    3.25078200   -2.68510400
 C                  5.91123300    3.60892300   -1.94160900
 C                  7.00153100    2.73734100   -1.91220700
 C                  8.10547900    1.11579200   -0.61568700
 C                  8.08229200    0.43105500    0.59994500
 C                  7.57345900   -0.92897900    0.66007300
 C                  7.10203000   -1.54877800   -0.49915700
 C                  5.89154200   -2.34596000   -0.45423000
 C                  5.16215600   -2.11861600   -1.69327600
 C                  3.76924400   -2.03726200   -1.67533600
 C                  3.08092300   -1.03824300   -2.47713600
 C                  2.34091800    1.67557300   -2.58491600
 C                  1.55633600    0.75768600   -1.80505100
 C                  1.93228900   -0.56769400   -1.73313500
 C                  1.91207300   -1.29376100   -0.44075900
 C                  3.04661700   -2.19157500   -0.42326300
 C                  3.74894900   -2.42909900    0.76487400
 C                  5.19862500   -2.49970900    0.74943000
 C                  5.69108400   -1.85661900    1.95848400
 C                  6.85314800   -1.08434500    1.91194000
 C                  7.72146200    2.51667800   -0.67023100
 C                  7.67409000    1.11681600    1.81465700
 C                  5.27342500   -0.22896900   -3.28025700
 N                 -0.50847000   -3.77452600   -1.09283800
 K                  1.77477300   -5.43214500   -1.68556700
 N                  1.84624600   -5.84497700    1.17275200
 C                 -0.15334200   -7.45625300   -2.57017200
 K                 -0.09187800   -3.93160800    2.04651500
 C                  1.57187500   -6.97546700    1.36889800
 N                 -1.12536600   -7.73773000   -1.96351900
 C                 -2.35455000   -5.75740800    2.12208400
 K                 -0.83233300   -8.56119400    0.79910200
 K                 -2.90513200   -5.56121700   -1.32843100
 N                 -2.84036300   -6.51615900    1.36077900

15 61 F

C N 0
6-31G(d)
****
K 0
LanL2DZ
****

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83





